Geometry & MOs

Info

ID:	58064
PubChem CID:	24423844
Reduced:	S2O4N5C14H15 (1)
Stoich.:	A2B4C5D14E15 (1)
Weight, g/mol:	345.056546
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	12.18
IP(EA), eV:	-9.26(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylprop-2-enyl)-3-(2-nitro-4-sulfamoylanilino)thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations